Geometry & MOs

Info

ID:	294709
PubChem CID:	117484377
Reduced:	ClO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	300.12407
ΔH_f, kcal/mol:	-185.48
Dipole, Da:	7.9
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4,5-dimethoxy-2-(2-piperazin-1-ylethyl)phenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)C(CC(=O)O)C2CC2)O)Cl

DOS

IR

Vibrations